#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ngl n GLN 2 N 0.00 -7.00 -3.91 0.03 6.02 -1.26 -4.95 117.38 106.31 1ngl n GLN 2 Ca 0.00 0.73 -0.11 0.00 -0.01 0.00 0.00 57.00 57.62 1ngl n GLN 2 Cb 0.00 -5.73 0.00 0.00 1.02 0.00 0.00 30.24 25.53 1ngl n GLN 2 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1ngl s ASP 3 N -3.31 0.33 0.01 1.08 2.15 -1.26 -5.11 116.67 110.56 1ngl s ASP 3 Ca 0.62 -1.26 -0.38 0.00 0.43 0.00 0.00 52.55 51.96 1ngl s ASP 3 Cb -0.29 0.79 -0.17 0.00 -0.30 0.00 0.00 42.92 42.95 1ngl s ASP 3 CO 0.77 -1.55 1.39 -0.24 -0.17 0.00 0.00 175.17 175.37 1ngl n SER 4 N -1.41 1.62 -0.80 -0.34 2.88 -1.26 -4.92 113.62 109.39 1ngl n SER 4 Ca -0.05 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.61 1ngl n SER 4 Cb 0.60 -1.15 0.00 0.00 -0.75 0.00 0.00 64.21 62.91 1ngl n SER 4 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1ngl n THR 5 N 2.81 0.00 -3.33 2.46 -2.24 -1.26 -5.08 114.28 107.64 1ngl n THR 5 Ca 0.20 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.59 1ngl n THR 5 Cb 0.17 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.37 1ngl n THR 5 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1ngl n SER 6 N -1.28 5.16 -0.70 3.42 3.41 -1.26 -4.69 113.62 117.68 1ngl n SER 6 Ca 0.00 -3.25 0.05 0.00 -0.26 0.00 0.00 58.87 55.41 1ngl n SER 6 Cb 0.00 -1.14 0.19 0.00 -0.26 0.00 0.00 64.21 63.01 1ngl n SER 6 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1ngl n ASP 7 N 1.83 1.77 -0.19 4.04 2.03 -1.26 -4.82 116.55 119.96 1ngl n ASP 7 Ca 0.25 -3.79 -0.10 0.00 0.52 0.00 0.00 54.79 51.66 1ngl n ASP 7 Cb 0.37 -0.51 0.01 0.00 -0.72 0.00 0.00 41.12 40.27 1ngl n ASP 7 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1ngl h LEU 8 N 1.04 1.05 -9.88 -2.67 3.38 -2.06 -3.45 115.31 102.72 1ngl h LEU 8 Ca -0.00 -0.35 -0.53 0.00 0.09 0.00 0.00 57.88 57.09 1ngl h LEU 8 Cb 1.07 -0.29 0.09 0.00 0.09 0.00 0.00 40.66 41.62 1ngl h LEU 8 CO 0.03 1.15 0.75 -0.63 0.09 0.00 0.00 178.44 179.84 1ngl s ILE 9 N -4.86 2.31 0.51 1.22 1.01 -1.26 -5.01 121.20 115.11 1ngl s ILE 9 Ca -0.12 0.30 -0.06 0.00 0.00 0.00 0.00 60.65 60.77 1ngl s ILE 9 Cb 0.13 -3.19 0.11 0.00 0.01 0.00 0.00 42.46 39.52 1ngl s ILE 9 CO 0.87 0.07 0.69 -0.81 0.00 0.00 0.00 174.94 175.75 1ngl n PRO 10 N 1.04 -0.39 -2.02 2.79 -0.04 -1.26 -4.98 135.00 130.13 1ngl n PRO 10 Ca 0.02 -1.32 -0.42 0.00 -0.04 0.00 0.00 63.50 61.75 1ngl n PRO 10 Cb 0.40 -0.63 -0.03 0.00 -0.04 0.00 0.00 33.50 33.20 1ngl n PRO 10 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ngl s ALA 11 N -3.62 3.65 0.02 0.55 0.00 -1.26 -4.94 121.76 116.16 1ngl s ALA 11 Ca 0.41 1.09 -0.30 0.00 0.00 0.00 0.00 51.96 53.16 1ngl s ALA 11 Cb -0.02 -3.67 -0.05 0.00 0.00 0.00 0.00 23.12 19.39 1ngl s ALA 11 CO 0.28 -1.06 1.26 -1.25 0.00 0.00 0.00 175.76 174.99 1ngl s PRO 12 N 2.66 4.36 0.98 0.00 0.04 -1.26 -5.02 135.00 136.76 1ngl s PRO 12 Ca 0.71 1.81 -0.15 0.00 0.04 0.00 0.00 61.00 63.40 1ngl s PRO 12 Cb -0.37 -3.45 0.19 0.00 0.04 0.00 0.00 34.50 30.91 1ngl s PRO 12 CO 0.30 -0.40 1.22 -1.25 0.04 0.00 0.00 177.00 176.91 1ngl s PRO 13 N 1.71 0.54 0.00 0.56 0.04 -1.26 -4.91 135.00 131.68 1ngl s PRO 13 Ca 0.59 -0.13 0.19 0.00 0.04 0.00 0.00 61.00 61.70 1ngl s PRO 13 Cb -0.29 -1.81 1.12 0.00 0.04 0.00 0.00 34.50 33.56 1ngl s PRO 13 CO 0.26 -2.52 1.52 1.47 0.04 0.00 0.00 177.00 177.77 1ngl n LEU 14 N -3.91 0.00 -0.14 -3.56 -0.00 -1.26 -3.91 117.00 104.22 1ngl n LEU 14 Ca 0.12 0.00 0.28 0.00 -0.00 0.00 0.00 56.01 56.41 1ngl n LEU 14 Cb 0.60 -0.00 0.72 0.00 -0.00 0.00 0.00 43.42 44.73 1ngl n LEU 14 CO 0.49 -0.00 1.26 -1.28 -0.00 0.00 0.00 177.39 177.86 1ngl h SER 15 N 0.00 0.00 -0.61 1.45 0.87 -2.00 1.89 113.55 115.15 1ngl h SER 15 Ca 0.00 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.31 1ngl h SER 15 Cb 0.00 0.00 -0.15 0.00 -0.44 0.00 0.00 62.40 61.81 1ngl h SER 15 CO 0.00 0.00 0.32 2.29 -0.53 0.00 0.00 176.83 178.91 1ngl n LYS 16 N -4.00 2.43 -2.74 2.24 2.85 -1.25 -4.36 118.16 113.33 1ngl n LYS 16 Ca 0.18 -2.13 -0.00 0.00 -1.05 0.00 0.00 58.31 55.30 1ngl n LYS 16 Cb 0.99 -1.89 0.07 0.00 -0.65 0.00 0.00 35.03 33.55 1ngl n LYS 16 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1ngl n VAL 17 N -0.33 0.91 -1.78 0.58 0.31 0.64 -5.09 118.33 113.58 1ngl n VAL 17 Ca 0.35 -2.36 -0.29 0.00 -0.01 0.00 0.00 64.34 62.02 1ngl n VAL 17 Cb 1.20 1.22 0.16 0.00 -0.91 0.00 0.00 33.84 35.51 1ngl n VAL 17 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1ngl s PRO 18 N -2.70 0.84 0.03 5.55 0.04 -1.24 -5.00 135.00 132.52 1ngl s PRO 18 Ca 0.23 -0.15 0.01 0.00 0.04 0.00 0.00 61.00 61.13 1ngl s PRO 18 Cb 0.35 -1.84 -0.02 0.00 0.04 0.00 0.00 34.50 33.02 1ngl s PRO 18 CO -0.07 -2.32 -0.05 -0.48 0.04 0.00 0.00 177.00 174.12 1ngl s LEU 19 N -5.94 2.26 0.52 -3.56 0.05 -1.05 -4.08 118.68 106.88 1ngl s LEU 19 Ca 0.69 -0.55 -0.22 0.00 0.05 0.00 0.00 54.13 54.10 1ngl s LEU 19 Cb -0.08 -0.03 -0.06 0.00 -2.05 0.00 0.00 46.19 43.98 1ngl s LEU 19 CO 0.52 -0.27 1.29 -1.58 -0.55 0.00 0.00 176.35 175.77 1ngl s GLN 20 N -1.65 3.34 0.00 1.48 2.00 0.31 -4.74 119.66 120.41 1ngl s GLN 20 Ca -0.12 2.07 0.00 0.00 -2.00 0.00 0.00 55.36 55.31 1ngl s GLN 20 Cb -0.09 -2.30 0.00 0.00 0.80 0.00 0.00 33.01 31.42 1ngl s GLN 20 CO -0.01 -0.98 0.00 1.04 -0.50 0.00 0.00 175.29 174.84 1ngl n GLN 21 N -0.86 2.15 -0.46 1.67 1.13 -1.26 -4.73 117.38 115.01 1ngl n GLN 21 Ca 0.09 0.00 -0.08 0.00 -1.94 0.00 0.00 57.00 55.08 1ngl n GLN 21 Cb 0.46 0.00 0.04 0.00 0.11 0.00 0.00 30.24 30.85 1ngl n GLN 21 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 1ngl n ASN 22 N 0.00 4.06 -4.46 1.08 2.04 -1.26 -4.66 115.26 112.06 1ngl n ASN 22 Ca 0.00 -2.56 -0.36 0.00 -0.44 0.00 0.00 54.58 51.22 1ngl n ASN 22 Cb 0.00 -0.74 0.06 0.00 -2.53 0.00 0.00 39.78 36.57 1ngl n ASN 22 CO 0.00 0.00 0.00 0.33 -0.44 0.00 0.00 177.26 177.15 1ngl n PHE 23 N 0.27 -0.87 -3.98 -2.53 -0.00 -1.26 -4.95 117.46 104.14 1ngl n PHE 23 Ca 0.17 0.36 -0.25 0.00 -0.00 0.00 0.00 57.45 57.73 1ngl n PHE 23 Cb 0.75 -1.91 -0.03 0.00 -0.00 0.00 0.00 39.48 38.28 1ngl n PHE 23 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 1ngl s GLN 24 N -2.64 3.31 0.14 -4.13 -1.52 -1.26 -4.85 119.66 108.71 1ngl s GLN 24 Ca 0.65 -0.70 -0.07 0.00 -1.95 0.00 0.00 55.36 53.29 1ngl s GLN 24 Cb -0.36 -2.87 -0.04 0.00 -0.22 0.00 0.00 33.01 29.52 1ngl s GLN 24 CO 0.58 0.49 1.38 0.38 -0.25 0.00 0.00 175.29 177.87 1ngl h ASP 25 N 1.98 0.71 0.33 5.90 3.04 -1.98 -2.73 116.42 123.67 1ngl h ASP 25 Ca -0.49 -0.46 -0.02 0.00 -3.24 0.00 0.00 57.03 52.82 1ngl h ASP 25 Cb 1.20 -0.21 -0.00 0.00 -1.04 0.00 0.00 39.33 39.28 1ngl h ASP 25 CO 0.66 1.23 -0.09 -0.55 -2.04 0.00 0.00 179.24 178.45 1ngl h ASN 26 N 0.42 0.00 0.00 4.15 7.08 -1.98 -2.98 115.58 122.27 1ngl h ASN 26 Ca -0.04 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.18 1ngl h ASN 26 Cb 1.34 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.58 1ngl h ASN 26 CO 0.14 0.09 -1.11 1.67 -2.08 0.00 0.00 177.43 176.14 1ngl n GLN 27 N -3.59 1.30 0.17 4.14 7.27 -1.25 -4.59 117.38 120.84 1ngl n GLN 27 Ca -0.02 -0.05 0.02 0.00 0.07 0.00 0.00 57.00 57.01 1ngl n GLN 27 Cb 0.21 -1.10 0.29 0.00 2.41 0.00 0.00 30.24 32.05 1ngl n GLN 27 CO 0.00 0.00 0.00 0.35 0.07 0.00 0.00 177.06 177.48 1ngl h PHE 28 N 0.00 0.00 -2.46 3.69 3.04 -1.33 -3.44 116.94 116.44 1ngl h PHE 28 Ca 0.00 0.00 -0.53 0.00 3.98 0.00 0.00 57.97 61.42 1ngl h PHE 28 Cb 0.31 0.00 0.03 0.00 2.56 0.00 0.00 35.95 38.86 1ngl h PHE 28 CO 0.00 0.46 1.15 0.00 -2.02 0.00 0.00 178.31 177.90 1ngl n GLN 29 N -3.88 2.82 0.00 1.11 10.64 -1.19 -4.87 117.38 122.00 1ngl n GLN 29 Ca -0.01 1.03 0.00 0.00 -1.83 0.00 0.00 57.00 56.18 1ngl n GLN 29 Cb 0.50 -2.94 0.00 0.00 -0.86 0.00 0.00 30.24 26.94 1ngl n GLN 29 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1ngl n GLY 30 N 4.33 2.66 2.70 2.61 0.00 0.19 -4.88 105.19 112.81 1ngl n GLY 30 Ca 0.19 -0.62 -0.28 0.00 0.00 0.00 0.00 46.02 45.31 1ngl n GLY 30 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ngl s LYS 31 N 1.34 0.55 0.34 1.61 2.20 -1.26 0.14 119.74 124.67 1ngl s LYS 31 Ca 0.00 -0.49 0.04 0.00 -0.36 0.00 0.00 55.97 55.16 1ngl s LYS 31 Cb 0.00 -1.97 -0.02 0.00 -1.51 0.00 0.00 37.83 34.33 1ngl s LYS 31 CO 0.00 -0.73 0.51 -1.58 -0.36 0.00 0.00 175.35 173.18 1ngl s TRP 32 N 1.88 3.27 -0.24 4.03 0.23 -0.58 -4.52 118.94 123.02 1ngl s TRP 32 Ca 0.02 0.02 -0.09 0.00 -2.03 0.00 0.00 56.10 54.02 1ngl s TRP 32 Cb -0.17 -1.96 -0.04 0.00 0.03 0.00 0.00 33.47 31.33 1ngl s TRP 32 CO -0.13 0.03 0.11 0.71 0.96 0.00 0.00 176.95 178.63 1ngl s TYR 33 N -2.24 3.19 -0.05 -1.98 1.51 1.00 -2.90 117.35 115.87 1ngl s TYR 33 Ca 0.43 -0.07 -0.30 0.00 -1.01 0.00 0.00 57.07 56.12 1ngl s TYR 33 Cb -0.10 -2.25 -0.05 0.00 -0.11 0.00 0.00 41.96 39.45 1ngl s TYR 33 CO 0.33 -0.13 1.61 0.08 -1.11 0.00 0.00 175.55 176.33 1ngl s VAL 34 N 1.30 3.61 0.00 0.71 1.01 -0.69 0.12 120.40 126.46 1ngl s VAL 34 Ca 0.06 0.77 0.00 0.00 0.00 0.00 0.00 61.98 62.81 1ngl s VAL 34 Cb -0.15 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.74 1ngl s VAL 34 CO 0.05 -0.06 0.26 0.52 0.00 0.00 0.00 175.10 175.86 1ngl n VAL 35 N 5.39 0.00 -3.55 2.92 0.31 0.36 -4.63 118.33 119.14 1ngl n VAL 35 Ca 0.17 -0.38 -0.07 0.00 -0.01 0.00 0.00 64.34 64.05 1ngl n VAL 35 Cb 0.43 1.15 -0.02 0.00 -0.91 0.00 0.00 33.84 34.49 1ngl n VAL 35 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1ngl s GLY 36 N -0.26 -0.39 -0.17 2.92 0.00 -0.08 -4.58 107.32 104.76 1ngl s GLY 36 Ca 0.00 1.17 -0.07 0.00 0.00 0.00 0.00 44.72 45.82 1ngl s GLY 36 CO 0.00 0.38 0.37 -2.27 0.00 0.00 0.00 173.10 171.58 1ngl s LEU 37 N -2.41 -0.34 -0.10 0.66 1.98 -0.53 -3.03 118.68 114.91 1ngl s LEU 37 Ca 0.07 0.84 -0.07 0.00 -2.89 0.00 0.00 54.13 52.08 1ngl s LEU 37 Cb -0.01 1.15 0.03 0.00 0.66 0.00 0.00 46.19 48.02 1ngl s LEU 37 CO -0.07 -0.22 0.25 0.00 -1.89 0.00 0.00 176.35 174.42 1ngl s ALA 38 N 2.15 -0.59 0.07 5.97 0.00 -0.45 -2.12 121.76 126.79 1ngl s ALA 38 Ca -0.04 0.83 -0.28 0.00 0.00 0.00 0.00 51.96 52.48 1ngl s ALA 38 Cb -0.11 -0.51 0.09 0.00 0.00 0.00 0.00 23.12 22.59 1ngl s ALA 38 CO -0.11 -0.15 1.09 0.20 0.00 0.00 0.00 175.76 176.79 1ngl s GLY 39 N 0.62 -0.31 0.31 0.00 0.00 -0.88 0.14 107.32 107.20 1ngl s GLY 39 Ca -0.04 0.42 0.17 0.00 0.00 0.00 0.00 44.72 45.26 1ngl s GLY 39 CO -0.04 0.07 1.55 3.45 0.00 0.00 0.00 173.10 178.14 1ngl h ASN 40 N 2.00 0.00 -0.31 1.64 -1.07 -1.81 -3.02 115.58 113.01 1ngl h ASN 40 Ca -0.26 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.11 1ngl h ASN 40 Cb 1.22 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.47 1ngl h ASN 40 CO 0.27 0.46 0.00 0.00 0.07 0.00 0.00 177.43 178.23 1ngl n ALA 41 N -2.25 3.10 -2.68 4.14 0.00 -1.26 -4.75 120.51 116.81 1ngl n ALA 41 Ca 0.01 -2.21 -0.37 0.00 0.00 0.00 0.00 53.44 50.87 1ngl n ALA 41 Cb 0.65 -0.77 -0.06 0.00 0.00 0.00 0.00 19.45 19.28 1ngl n ALA 41 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ngl s ILE 42 N -2.75 5.26 -0.71 0.00 1.01 -1.21 -5.01 121.20 117.79 1ngl s ILE 42 Ca 0.43 0.56 -0.16 0.00 0.00 0.00 0.00 60.65 61.48 1ngl s ILE 42 Cb 0.35 -3.59 0.16 0.00 0.01 0.00 0.00 42.46 39.38 1ngl s ILE 42 CO 0.10 0.54 0.73 -0.76 0.00 0.00 0.00 174.94 175.56 1ngl s LEU 43 N -0.65 6.07 -0.47 2.97 1.43 -1.26 -4.58 118.68 122.19 1ngl s LEU 43 Ca 0.19 -2.08 -0.16 0.00 -1.03 0.00 0.00 54.13 51.05 1ngl s LEU 43 Cb -0.14 -2.26 0.07 0.00 0.03 0.00 0.00 46.19 43.89 1ngl s LEU 43 CO 0.08 -0.84 0.40 -0.60 0.23 0.00 0.00 176.35 175.62 1ngl s ARG 44 N 1.45 2.99 -0.09 1.70 3.52 -1.26 -4.92 118.95 122.34 1ngl s ARG 44 Ca 0.14 -1.30 0.01 0.00 -0.13 0.00 0.00 55.73 54.46 1ngl s ARG 44 Cb -0.18 -4.12 -0.02 0.00 -1.56 0.00 0.00 34.95 29.07 1ngl s ARG 44 CO -0.02 -1.02 -0.12 -1.21 -0.81 0.00 0.00 175.30 172.12 1ngl s GLU 45 N 1.70 2.98 0.25 5.12 2.02 -1.25 -5.00 118.70 124.52 1ngl s GLU 45 Ca 0.05 -0.65 -0.06 0.00 0.02 0.00 0.00 54.97 54.33 1ngl s GLU 45 Cb -0.24 -2.56 0.26 0.00 0.10 0.00 0.00 34.13 31.70 1ngl s GLU 45 CO 0.07 0.44 1.93 0.22 0.02 0.00 0.00 175.26 177.94 1ngl h ASP 46 N 5.96 1.15 -0.89 -0.19 1.82 -2.00 -1.89 116.42 120.39 1ngl h ASP 46 Ca -0.38 -0.03 -0.02 0.00 -0.39 0.00 0.00 57.03 56.21 1ngl h ASP 46 Cb 1.18 -0.29 -0.04 0.00 0.68 0.00 0.00 39.33 40.86 1ngl h ASP 46 CO 0.54 0.83 0.47 0.11 -1.61 0.00 0.00 179.24 179.57 1ngl h LYS 47 N 1.36 1.25 -2.91 0.28 1.57 -2.03 -3.35 116.57 112.74 1ngl h LYS 47 Ca 0.37 -0.16 -0.61 0.00 -1.87 0.00 0.00 60.65 58.38 1ngl h LYS 47 Cb -0.15 -0.24 -0.41 0.00 0.08 0.00 0.00 32.23 31.51 1ngl h LYS 47 CO -0.08 0.93 -0.70 0.34 -0.57 0.00 0.00 179.45 179.37 1ngl s ASP 48 N -6.25 3.80 0.55 0.86 -1.08 -0.73 -5.10 116.67 108.71 1ngl s ASP 48 Ca -0.13 -3.45 -0.19 0.00 -0.52 0.00 0.00 52.55 48.26 1ngl s ASP 48 Cb 0.17 -1.26 -0.06 0.00 -1.46 0.00 0.00 42.92 40.31 1ngl s ASP 48 CO 0.83 -0.14 1.12 -2.16 0.52 0.00 0.00 175.17 175.35 1ngl s PRO 49 N -0.77 3.35 -0.18 4.34 0.04 -1.10 -3.94 135.00 136.74 1ngl s PRO 49 Ca 0.25 1.59 -0.19 0.00 0.04 0.00 0.00 61.00 62.70 1ngl s PRO 49 Cb -0.06 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.44 1ngl s PRO 49 CO -0.14 -0.84 0.53 -1.14 0.04 0.00 0.00 177.00 175.44 1ngl s GLN 50 N -3.32 4.23 0.32 4.56 0.74 -1.26 -5.04 119.66 119.90 1ngl s GLN 50 Ca 0.72 0.46 -0.29 0.00 0.05 0.00 0.00 55.36 56.30 1ngl s GLN 50 Cb -0.23 -3.54 -0.10 0.00 1.10 0.00 0.00 33.01 30.24 1ngl s GLN 50 CO 0.27 -0.10 1.25 0.15 -0.55 0.00 0.00 175.29 176.31 1ngl s LYS 51 N 1.47 4.40 0.50 1.67 1.02 -1.26 -4.52 119.74 123.03 1ngl s LYS 51 Ca 0.25 2.09 -0.18 0.00 0.02 0.00 0.00 55.97 58.15 1ngl s LYS 51 Cb -0.15 -3.07 -0.08 0.00 -0.52 0.00 0.00 37.83 34.01 1ngl s LYS 51 CO 0.10 -0.10 1.00 0.00 -0.92 0.00 0.00 175.35 175.43 1ngl s MET 52 N -1.75 3.87 0.00 1.68 0.23 -1.26 -5.01 119.30 117.05 1ngl s MET 52 Ca 0.48 1.13 0.00 0.00 -1.03 0.00 0.00 55.69 56.28 1ngl s MET 52 Cb -0.37 -2.12 0.00 0.00 -1.53 0.00 0.00 34.83 30.81 1ngl s MET 52 CO 0.49 -0.35 0.00 2.48 -2.03 0.00 0.00 175.02 175.61 1ngl n TYR 53 N -1.30 0.00 -4.13 3.16 0.18 -1.26 -4.85 117.16 108.97 1ngl n TYR 53 Ca 0.08 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.73 1ngl n TYR 53 Cb 0.53 0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 39.39 1ngl n TYR 53 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1ngl s ALA 54 N -2.00 0.86 -0.06 -3.48 0.00 -0.53 -1.71 121.76 114.85 1ngl s ALA 54 Ca 0.00 -1.08 -0.03 0.00 0.00 0.00 0.00 51.96 50.85 1ngl s ALA 54 Cb 0.00 0.08 0.03 0.00 0.00 0.00 0.00 23.12 23.22 1ngl s ALA 54 CO 0.00 -0.09 0.13 0.99 0.00 0.00 0.00 175.76 176.79 1ngl s THR 55 N -2.42 -0.03 -0.14 0.00 2.01 -1.14 0.29 115.64 114.21 1ngl s THR 55 Ca 0.02 0.11 -0.03 0.00 0.31 0.00 0.00 61.69 62.11 1ngl s THR 55 Cb -0.03 -0.21 -0.03 0.00 0.01 0.00 0.00 72.50 72.24 1ngl s THR 55 CO -0.01 0.05 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.27 1ngl s ILE 56 N 0.76 3.72 -0.36 1.82 1.01 0.37 -1.52 121.20 127.00 1ngl s ILE 56 Ca -0.06 -0.43 -0.14 0.00 0.00 0.00 0.00 60.65 60.03 1ngl s ILE 56 Cb -0.08 -2.61 -0.00 0.00 0.01 0.00 0.00 42.46 39.78 1ngl s ILE 56 CO -0.04 0.51 0.27 -0.31 0.00 0.00 0.00 174.94 175.38 1ngl s TYR 57 N 0.22 3.23 -0.24 3.97 1.51 0.38 -0.83 117.35 125.59 1ngl s TYR 57 Ca -0.04 -0.32 0.02 0.00 -1.01 0.00 0.00 57.07 55.72 1ngl s TYR 57 Cb -0.14 -2.54 0.04 0.00 -0.11 0.00 0.00 41.96 39.22 1ngl s TYR 57 CO 0.03 -0.45 -0.13 -2.00 -1.11 0.00 0.00 175.55 171.90 1ngl s GLU 58 N 1.74 2.53 0.63 -0.62 2.12 -1.01 0.58 118.70 124.67 1ngl s GLU 58 Ca 0.06 -1.15 -0.11 0.00 0.36 0.00 0.00 54.97 54.13 1ngl s GLU 58 Cb -0.18 -2.82 -0.03 0.00 0.26 0.00 0.00 34.13 31.36 1ngl s GLU 58 CO 0.11 -0.45 1.04 -1.17 -0.54 0.00 0.00 175.26 174.25 1ngl s LEU 59 N 1.19 3.19 0.16 2.70 2.96 -1.26 0.13 118.68 127.74 1ngl s LEU 59 Ca -0.04 1.39 0.08 0.00 -0.22 0.00 0.00 54.13 55.35 1ngl s LEU 59 Cb -0.18 -4.41 -0.04 0.00 0.50 0.00 0.00 46.19 42.07 1ngl s LEU 59 CO -0.07 -0.94 -0.18 -0.75 -1.32 0.00 0.00 176.35 173.09 1ngl s LYS 60 N -5.20 1.25 0.00 1.98 2.20 0.83 -4.84 119.74 115.97 1ngl s LYS 60 Ca 0.55 -1.38 0.00 0.00 -0.36 0.00 0.00 55.97 54.78 1ngl s LYS 60 Cb -0.11 -1.32 0.00 0.00 -1.51 0.00 0.00 37.83 34.89 1ngl s LYS 60 CO 0.54 0.27 0.28 0.39 -0.36 0.00 0.00 175.35 176.47 1ngl n GLU 61 N 0.37 0.15 -2.95 4.03 1.02 -1.26 -3.33 120.64 118.66 1ngl n GLU 61 Ca -0.14 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 56.87 1ngl n GLU 61 Cb 0.57 -1.42 0.03 0.00 -0.02 0.00 0.00 31.44 30.59 1ngl n GLU 61 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1ngl n ASP 62 N 1.75 -0.56 -3.82 1.62 5.75 -1.26 -5.00 116.55 115.03 1ngl n ASP 62 Ca 0.00 -3.26 -0.14 0.00 -0.01 0.00 0.00 54.79 51.38 1ngl n ASP 62 Cb 0.08 0.50 0.01 0.00 -1.03 0.00 0.00 41.12 40.68 1ngl n ASP 62 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 1ngl n LYS 63 N 0.26 -0.80 -3.65 0.11 2.85 -1.21 -4.87 118.16 110.84 1ngl n LYS 63 Ca 0.15 -0.35 -0.14 0.00 -1.05 0.00 0.00 58.31 56.93 1ngl n LYS 63 Cb 0.69 -0.07 -0.07 0.00 -0.65 0.00 0.00 35.03 34.94 1ngl n LYS 63 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1ngl s SER 64 N -4.52 -0.35 -0.06 -5.58 0.15 -1.25 -4.11 113.70 97.98 1ngl s SER 64 Ca 0.15 0.16 0.04 0.00 0.70 0.00 0.00 55.95 56.99 1ngl s SER 64 Cb -0.08 0.43 -0.02 0.00 -1.71 0.00 0.00 66.02 64.63 1ngl s SER 64 CO 0.29 -0.61 -0.16 -0.31 1.20 0.00 0.00 173.24 173.64 1ngl s TYR 65 N -1.98 2.65 -0.34 3.44 2.02 0.70 -0.12 117.35 123.72 1ngl s TYR 65 Ca -0.08 -0.34 -0.09 0.00 -0.37 0.00 0.00 57.07 56.19 1ngl s TYR 65 Cb -0.02 -1.65 0.02 0.00 -0.40 0.00 0.00 41.96 39.91 1ngl s TYR 65 CO 0.01 0.04 0.14 1.21 -1.57 0.00 0.00 175.55 175.39 1ngl s ASN 66 N -0.45 5.45 -0.21 2.29 2.47 0.12 0.88 114.94 125.49 1ngl s ASN 66 Ca 0.05 -0.88 -0.12 0.00 0.42 0.00 0.00 52.86 52.34 1ngl s ASN 66 Cb -0.12 -1.95 -0.05 0.00 -1.45 0.00 0.00 41.25 37.69 1ngl s ASN 66 CO 0.02 -0.29 0.20 -0.69 -3.72 0.00 0.00 177.10 172.62 1ngl s VAL 67 N 1.51 5.35 -0.25 -5.21 1.01 0.50 -2.41 120.40 120.90 1ngl s VAL 67 Ca 0.02 0.32 -0.09 0.00 0.00 0.00 0.00 61.98 62.22 1ngl s VAL 67 Cb -0.18 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 1ngl s VAL 67 CO 0.05 0.38 0.12 -0.89 0.00 0.00 0.00 175.10 174.75 1ngl s THR 68 N 0.71 4.78 -0.27 3.92 2.01 -0.01 0.29 115.64 127.08 1ngl s THR 68 Ca 0.11 -0.01 -0.11 0.00 0.31 0.00 0.00 61.69 61.99 1ngl s THR 68 Cb -0.13 -3.24 -0.05 0.00 0.01 0.00 0.00 72.50 69.09 1ngl s THR 68 CO 0.02 0.32 0.18 -0.44 -0.69 0.00 0.00 174.62 174.01 1ngl s SER 69 N 1.49 6.05 -0.10 3.53 0.01 0.24 0.14 113.70 125.05 1ngl s SER 69 Ca 0.06 0.03 -0.14 0.00 1.31 0.00 0.00 55.95 57.21 1ngl s SER 69 Cb -0.15 -2.11 -0.05 0.00 0.21 0.00 0.00 66.02 63.92 1ngl s SER 69 CO 0.06 -0.01 0.34 -0.69 0.41 0.00 0.00 173.24 173.35 1ngl s VAL 70 N 1.53 5.22 0.33 3.43 1.01 0.85 -1.69 120.40 131.08 1ngl s VAL 70 Ca 0.07 0.66 0.09 0.00 0.00 0.00 0.00 61.98 62.81 1ngl s VAL 70 Cb -0.15 -3.66 -0.06 0.00 0.00 0.00 0.00 36.38 32.51 1ngl s VAL 70 CO 0.09 0.47 -0.10 -0.76 0.00 0.00 0.00 175.10 174.80 1ngl s LEU 71 N -0.16 2.69 -0.14 3.92 1.02 -0.74 -1.45 118.68 123.82 1ngl s LEU 71 Ca 0.20 -1.19 -0.05 0.00 0.02 0.00 0.00 54.13 53.11 1ngl s LEU 71 Cb -0.14 -0.96 -0.04 0.00 0.02 0.00 0.00 46.19 45.07 1ngl s LEU 71 CO 0.08 -0.21 0.03 0.12 0.02 0.00 0.00 176.35 176.39 1ngl s PHE 72 N -2.66 3.23 0.55 0.29 2.19 -1.26 -1.82 117.98 118.50 1ngl s PHE 72 Ca 0.32 0.12 0.05 0.00 0.33 0.00 0.00 56.93 57.75 1ngl s PHE 72 Cb 0.02 -1.94 0.04 0.00 -1.31 0.00 0.00 43.02 39.84 1ngl s PHE 72 CO 0.16 0.31 0.39 1.03 1.83 0.00 0.00 175.22 178.94 1ngl s ARG 73 N -0.26 2.24 0.28 10.12 0.52 0.95 -4.95 118.95 127.86 1ngl s ARG 73 Ca 0.07 -2.06 0.00 0.00 -0.52 0.00 0.00 55.73 53.22 1ngl s ARG 73 Cb -0.12 -2.07 0.50 0.00 0.52 0.00 0.00 34.95 33.78 1ngl s ARG 73 CO 0.02 -0.64 1.87 0.87 0.02 0.00 0.00 175.30 177.44 1ngl h LYS 74 N 0.74 1.04 -0.39 3.54 1.57 -2.03 -3.18 116.57 117.86 1ngl h LYS 74 Ca -0.37 -0.06 -0.24 0.00 -1.87 0.00 0.00 60.65 58.11 1ngl h LYS 74 Cb 1.31 -0.23 -0.36 0.00 0.08 0.00 0.00 32.23 33.02 1ngl h LYS 74 CO 0.57 0.69 -0.99 1.63 -0.57 0.00 0.00 179.45 180.78 1ngl n LYS 75 N -4.53 1.64 -3.68 3.15 5.02 -1.26 -5.09 118.16 113.41 1ngl n LYS 75 Ca 0.16 -3.15 -0.15 0.00 -2.02 0.00 0.00 58.31 53.15 1ngl n LYS 75 Cb 0.25 -1.28 -0.08 0.00 -0.02 0.00 0.00 35.03 33.90 1ngl n LYS 75 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1ngl s LYS 76 N -3.17 0.80 -0.14 1.97 1.02 -1.20 -5.10 119.74 113.92 1ngl s LYS 76 Ca 0.24 -0.03 0.01 0.00 0.02 0.00 0.00 55.97 56.21 1ngl s LYS 76 Cb 0.35 0.37 -0.01 0.00 -0.52 0.00 0.00 37.83 38.02 1ngl s LYS 76 CO -0.05 -0.23 -0.16 0.00 -0.92 0.00 0.00 175.35 173.99 1ngl s ASP 78 N 0.56 4.37 0.01 0.00 -1.08 -0.75 -4.91 116.67 114.87 1ngl s ASP 78 Ca -0.10 -1.24 0.06 0.00 -0.52 0.00 0.00 52.55 50.75 1ngl s ASP 78 Cb -0.16 -0.12 -0.02 0.00 -1.46 0.00 0.00 42.92 41.17 1ngl s ASP 78 CO 0.04 -0.70 -0.18 -0.31 0.52 0.00 0.00 175.17 174.53 1ngl s TYR 79 N -2.69 1.62 0.01 -5.34 1.51 -1.26 -1.79 117.35 109.41 1ngl s TYR 79 Ca 0.33 -0.33 -0.01 0.00 -1.01 0.00 0.00 57.07 56.05 1ngl s TYR 79 Cb 0.03 -1.02 -0.01 0.00 -0.11 0.00 0.00 41.96 40.85 1ngl s TYR 79 CO 0.18 0.01 -0.00 -0.46 -1.11 0.00 0.00 175.55 174.17 1ngl s TRP 80 N -0.56 0.16 -0.03 2.71 -0.00 -0.68 -4.96 118.94 115.57 1ngl s TRP 80 Ca 0.07 -0.33 0.06 0.00 -0.00 0.00 0.00 56.10 55.90 1ngl s TRP 80 Cb -0.07 -0.12 -0.01 0.00 -0.00 0.00 0.00 33.47 33.26 1ngl s TRP 80 CO 0.00 -0.15 -0.22 0.96 -0.00 0.00 0.00 176.95 177.54 1ngl s ILE 81 N -1.05 1.80 0.12 5.86 -0.00 -1.26 0.79 121.20 127.47 1ngl s ILE 81 Ca -0.11 -0.95 0.09 0.00 -0.00 0.00 0.00 60.65 59.67 1ngl s ILE 81 Cb -0.07 -1.51 -0.04 0.00 -0.00 0.00 0.00 42.46 40.84 1ngl s ILE 81 CO -0.00 0.51 -0.22 -0.13 -0.00 0.00 0.00 174.94 175.09 1ngl s ARG 82 N -0.33 1.24 0.00 0.37 0.52 0.14 -4.90 118.95 115.99 1ngl s ARG 82 Ca 0.03 -1.27 -0.02 0.00 -0.52 0.00 0.00 55.73 53.95 1ngl s ARG 82 Cb -0.11 -1.54 -0.04 0.00 0.52 0.00 0.00 34.95 33.78 1ngl s ARG 82 CO 0.01 0.35 0.19 0.99 0.02 0.00 0.00 175.30 176.86 1ngl s THR 83 N -1.28 5.43 0.02 0.02 2.01 -1.26 0.19 115.64 120.76 1ngl s THR 83 Ca 0.10 -0.19 0.05 0.00 0.31 0.00 0.00 61.69 61.97 1ngl s THR 83 Cb -0.09 -3.55 -0.02 0.00 0.01 0.00 0.00 72.50 68.84 1ngl s THR 83 CO 0.05 0.30 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.76 1ngl s PHE 84 N -1.35 1.45 -0.01 4.92 0.08 0.25 -3.18 117.98 120.15 1ngl s PHE 84 Ca 0.28 -0.32 -0.00 0.00 0.12 0.00 0.00 56.93 57.02 1ngl s PHE 84 Cb -0.13 -0.90 0.01 0.00 -0.57 0.00 0.00 43.02 41.44 1ngl s PHE 84 CO 0.20 0.02 0.02 0.54 -0.10 0.00 0.00 175.22 175.90 1ngl s VAL 85 N -0.61 -0.02 0.35 -0.44 0.11 -0.08 0.25 120.40 119.96 1ngl s VAL 85 Ca 0.05 0.08 -0.29 0.00 -2.93 0.00 0.00 61.98 58.90 1ngl s VAL 85 Cb -0.07 -0.04 -0.11 0.00 -1.53 0.00 0.00 36.38 34.63 1ngl s VAL 85 CO 0.00 0.03 1.40 -2.16 -3.33 0.00 0.00 175.10 171.05 1ngl s PRO 86 N 0.42 4.23 0.00 1.54 0.04 -1.26 0.18 135.00 140.16 1ngl s PRO 86 Ca -0.03 2.39 0.00 0.00 0.04 0.00 0.00 61.00 63.40 1ngl s PRO 86 Cb -0.05 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.47 1ngl s PRO 86 CO -0.01 -0.37 0.04 0.41 0.04 0.00 0.00 177.00 177.11 1ngl n GLY 87 N 0.76 -1.32 0.03 0.56 0.00 0.68 -4.74 105.19 101.16 1ngl n GLY 87 Ca 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.03 1ngl n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ngl s GLN 89 N -2.45 1.81 0.25 0.00 -2.07 -1.26 -5.12 119.66 110.82 1ngl s GLN 89 Ca -0.04 -1.68 -0.30 0.00 -1.82 0.00 0.00 55.36 51.52 1ngl s GLN 89 Cb 0.05 0.44 -0.09 0.00 -1.09 0.00 0.00 33.01 32.31 1ngl s GLN 89 CO 0.41 -0.75 1.11 -1.25 -1.32 0.00 0.00 175.29 173.49 1ngl s PRO 90 N -3.26 4.62 0.00 9.60 0.04 -1.26 -3.04 135.00 141.70 1ngl s PRO 90 Ca 0.30 1.79 0.00 0.00 0.04 0.00 0.00 61.00 63.13 1ngl s PRO 90 Cb 0.00 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.33 1ngl s PRO 90 CO 0.18 0.16 0.00 0.41 0.04 0.00 0.00 177.00 177.79 1ngl n GLY 91 N 1.48 2.19 3.07 0.56 0.00 -1.26 -4.91 105.19 106.32 1ngl n GLY 91 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1ngl n GLY 91 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ngl s GLU 92 N -0.23 1.96 0.20 1.61 2.12 -1.17 -4.33 118.70 118.86 1ngl s GLU 92 Ca 0.00 -0.51 -0.00 0.00 0.36 0.00 0.00 54.97 54.81 1ngl s GLU 92 Cb 0.00 -1.58 -0.04 0.00 0.26 0.00 0.00 34.13 32.77 1ngl s GLU 92 CO 0.00 0.07 0.10 -0.06 -0.54 0.00 0.00 175.26 174.83 1ngl s PHE 93 N 0.56 1.18 0.29 5.30 0.40 0.52 0.25 117.98 126.48 1ngl s PHE 93 Ca -0.15 -1.29 0.02 0.00 -0.60 0.00 0.00 56.93 54.92 1ngl s PHE 93 Cb -0.16 -0.62 -0.06 0.00 0.51 0.00 0.00 43.02 42.69 1ngl s PHE 93 CO 0.05 -0.53 0.08 -0.08 0.70 0.00 0.00 175.22 175.44 1ngl s THR 94 N -4.02 0.86 0.03 0.64 -1.32 0.49 0.16 115.64 112.46 1ngl s THR 94 Ca 0.35 -2.00 0.07 0.00 -1.21 0.00 0.00 61.69 58.90 1ngl s THR 94 Cb 0.07 -2.70 -0.03 0.00 -1.51 0.00 0.00 72.50 68.33 1ngl s THR 94 CO 0.10 -0.01 -0.19 -0.22 -2.21 0.00 0.00 174.62 172.09 1ngl s LEU 95 N -3.39 2.54 0.00 9.08 0.20 -1.12 -0.90 118.68 125.09 1ngl s LEU 95 Ca 0.37 -0.42 0.00 0.00 0.69 0.00 0.00 54.13 54.77 1ngl s LEU 95 Cb 0.08 -1.49 0.00 0.00 -0.43 0.00 0.00 46.19 44.35 1ngl s LEU 95 CO 0.14 0.27 0.00 0.61 -0.29 0.00 0.00 176.35 177.08 1ngl n GLY 96 N 1.71 1.76 2.57 7.98 0.00 -1.19 -3.82 105.19 114.21 1ngl n GLY 96 Ca -0.16 -0.45 -0.11 0.00 0.00 0.00 0.00 46.02 45.29 1ngl n GLY 96 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ngl n ASN 97 N 7.35 -0.81 0.31 1.61 4.13 -1.26 -4.98 115.26 121.61 1ngl n ASN 97 Ca 0.00 -3.08 0.15 0.00 1.68 0.00 0.00 54.58 53.33 1ngl n ASN 97 Cb 0.00 0.67 0.81 0.00 -1.54 0.00 0.00 39.78 39.72 1ngl n ASN 97 CO 0.00 0.00 0.00 -0.29 0.28 0.00 0.00 177.26 177.25 1ngl h ILE 98 N 2.26 0.00 -0.35 2.41 -0.00 -1.89 1.00 117.51 120.94 1ngl h ILE 98 Ca -0.09 0.00 -0.10 0.00 -0.00 0.00 0.00 64.86 64.67 1ngl h ILE 98 Cb 1.13 0.66 -0.01 0.00 -0.00 0.00 0.00 36.82 38.60 1ngl h ILE 98 CO 0.24 0.00 -0.19 0.50 -0.00 0.00 0.00 178.15 178.70 1ngl h LYS 99 N 0.00 0.74 -0.02 2.19 3.64 -1.89 -3.11 116.57 118.13 1ngl h LYS 99 Ca 0.00 -0.33 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 1ngl h LYS 99 Cb 0.56 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1ngl h LYS 99 CO 0.00 0.95 -0.04 0.43 -2.27 0.00 0.00 179.45 178.51 1ngl n SER 100 N -4.30 1.99 -4.88 4.20 7.64 0.31 -4.97 113.62 113.61 1ngl n SER 100 Ca -0.02 -1.62 -0.32 0.00 1.01 0.00 0.00 58.87 57.92 1ngl n SER 100 Cb 0.41 0.03 -0.05 0.00 -1.01 0.00 0.00 64.21 63.60 1ngl n SER 100 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1ngl s TYR 101 N -2.06 3.46 0.00 1.43 1.51 0.62 -5.03 117.35 117.27 1ngl s TYR 101 Ca 0.33 0.79 0.00 0.00 -1.01 0.00 0.00 57.07 57.18 1ngl s TYR 101 Cb 0.20 -2.19 0.00 0.00 -0.11 0.00 0.00 41.96 39.86 1ngl s TYR 101 CO 0.35 0.34 0.11 -0.35 -1.11 0.00 0.00 175.55 174.89 1ngl n PRO 102 N 0.03 0.00 -0.09 -1.71 -0.04 -1.26 -4.41 135.00 127.52 1ngl n PRO 102 Ca -0.01 0.15 0.10 0.00 -0.04 0.00 0.00 63.50 63.69 1ngl n PRO 102 Cb 0.52 -0.74 0.35 0.00 -0.04 0.00 0.00 33.50 33.60 1ngl n PRO 102 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ngl n GLY 103 N 1.83 0.23 3.63 0.55 0.00 -1.26 -4.72 105.19 105.45 1ngl n GLY 103 Ca 0.00 -0.38 -0.37 0.00 0.00 0.00 0.00 46.02 45.27 1ngl n GLY 103 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ngl s LEU 104 N -1.47 4.07 -0.26 0.99 0.20 -1.26 0.79 118.68 121.74 1ngl s LEU 104 Ca 0.30 0.06 -0.08 0.00 0.69 0.00 0.00 54.13 55.10 1ngl s LEU 104 Cb 0.16 -2.11 -0.13 0.00 -0.43 0.00 0.00 46.19 43.68 1ngl s LEU 104 CO 0.24 0.02 -0.29 0.41 -0.29 0.00 0.00 176.35 176.43 1ngl n THR 105 N 4.59 1.42 -3.16 3.68 -1.04 0.20 -4.69 114.28 115.27 1ngl n THR 105 Ca -0.15 -0.42 0.03 0.00 -2.04 0.00 0.00 64.05 61.48 1ngl n THR 105 Cb 0.52 -1.69 -0.01 0.00 -1.82 0.00 0.00 70.33 67.33 1ngl n THR 105 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1ngl s SER 106 N -7.00 -1.35 -0.31 8.00 0.01 -0.64 -4.87 113.70 107.53 1ngl s SER 106 Ca -0.35 0.72 0.02 0.00 1.31 0.00 0.00 55.95 57.65 1ngl s SER 106 Cb 0.12 2.10 0.08 0.00 0.21 0.00 0.00 66.02 68.52 1ngl s SER 106 CO 0.49 -0.27 0.01 -0.47 0.41 0.00 0.00 173.24 173.41 1ngl s TYR 107 N 2.84 3.47 -0.05 2.43 6.14 -1.26 0.56 117.35 131.48 1ngl s TYR 107 Ca 0.19 -2.46 0.06 0.00 0.64 0.00 0.00 57.07 55.50 1ngl s TYR 107 Cb -0.14 -2.46 -0.02 0.00 0.42 0.00 0.00 41.96 39.77 1ngl s TYR 107 CO -0.22 -0.90 -0.24 -1.17 0.64 0.00 0.00 175.55 173.67 1ngl s LEU 108 N 1.08 2.16 -0.05 6.97 1.98 0.42 -2.80 118.68 128.44 1ngl s LEU 108 Ca 0.00 -0.46 0.05 0.00 -2.89 0.00 0.00 54.13 50.84 1ngl s LEU 108 Cb -0.20 -1.39 -0.01 0.00 0.66 0.00 0.00 46.19 45.25 1ngl s LEU 108 CO -0.05 0.27 -0.22 -0.69 -1.89 0.00 0.00 176.35 173.78 1ngl s VAL 109 N -0.34 1.81 -0.25 1.68 1.01 0.41 -2.20 120.40 122.52 1ngl s VAL 109 Ca 0.02 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 61.04 1ngl s VAL 109 Cb -0.12 -1.54 0.12 0.00 0.00 0.00 0.00 36.38 34.84 1ngl s VAL 109 CO 0.02 0.51 0.26 -0.60 0.00 0.00 0.00 175.10 175.29 1ngl s ARG 110 N -0.10 0.26 0.37 2.72 3.52 -1.11 -0.36 118.95 124.26 1ngl s ARG 110 Ca -0.03 -0.00 -0.28 0.00 -0.13 0.00 0.00 55.73 55.28 1ngl s ARG 110 Cb -0.13 -0.90 -0.11 0.00 -1.56 0.00 0.00 34.95 32.26 1ngl s ARG 110 CO 0.03 -0.86 1.43 0.08 -0.81 0.00 0.00 175.30 175.17 1ngl s VAL 111 N 2.34 2.24 -0.00 7.11 1.01 -1.26 -2.68 120.40 129.16 1ngl s VAL 111 Ca 0.09 0.24 -0.00 0.00 0.00 0.00 0.00 61.98 62.30 1ngl s VAL 111 Cb -0.15 -3.15 -0.00 0.00 0.00 0.00 0.00 36.38 33.08 1ngl s VAL 111 CO -0.24 0.06 -0.00 0.58 0.00 0.00 0.00 175.10 175.49 1ngl h VAL 112 N 2.95 0.00 -3.09 2.92 2.07 -0.67 -2.68 116.25 117.75 1ngl h VAL 112 Ca -0.50 -0.02 -0.21 0.00 0.82 0.00 0.00 66.70 66.79 1ngl h VAL 112 Cb 1.24 0.00 -0.30 0.00 -1.52 0.00 0.00 31.29 30.70 1ngl h VAL 112 CO 0.64 0.00 -0.52 -0.55 0.02 0.00 0.00 177.57 177.16 1ngl s SER 113 N -3.07 -0.20 0.03 0.57 0.15 -1.24 0.11 113.70 110.06 1ngl s SER 113 Ca -0.00 0.46 -0.00 0.00 0.70 0.00 0.00 55.95 57.10 1ngl s SER 113 Cb 0.00 0.35 -0.04 0.00 -1.71 0.00 0.00 66.02 64.62 1ngl s SER 113 CO 0.00 -0.16 0.16 0.42 1.20 0.00 0.00 173.24 174.86 1ngl s THR 114 N 1.26 5.17 -0.47 6.45 -4.23 -1.26 -1.71 115.64 120.84 1ngl s THR 114 Ca -0.09 -0.38 0.08 0.00 -1.18 0.00 0.00 61.69 60.12 1ngl s THR 114 Cb -0.11 -3.46 0.30 0.00 1.34 0.00 0.00 72.50 70.58 1ngl s THR 114 CO -0.08 0.23 0.73 -3.20 -0.54 0.00 0.00 174.62 171.76 1ngl n ASN 115 N 0.65 2.08 0.00 3.99 5.15 0.59 -4.92 115.26 122.79 1ngl n ASN 115 Ca -0.09 -3.17 0.00 0.00 -0.60 0.00 0.00 54.58 50.72 1ngl n ASN 115 Cb 0.52 -0.62 0.00 0.00 -0.53 0.00 0.00 39.78 39.15 1ngl n ASN 115 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ngl n TYR 116 N 0.54 0.00 1.11 1.20 0.18 -1.26 0.25 117.16 119.18 1ngl n TYR 116 Ca 0.26 0.00 0.12 0.00 1.88 0.00 0.00 57.90 60.16 1ngl n TYR 116 Cb 0.52 -0.19 0.22 0.00 -0.38 0.00 0.00 39.34 39.51 1ngl n TYR 116 CO 0.00 0.00 0.00 0.27 -2.08 0.00 0.00 176.86 175.05 1ngl n ASN 117 N -1.13 1.08 0.02 9.48 6.94 -1.26 -4.23 115.26 126.16 1ngl n ASN 117 Ca 0.00 -0.86 0.00 0.00 -0.02 0.00 0.00 54.58 53.70 1ngl n ASN 117 Cb 0.21 0.33 0.00 0.00 -2.36 0.00 0.00 39.78 37.96 1ngl n ASN 117 CO 0.00 0.00 0.00 1.67 -1.03 0.00 0.00 177.26 177.90 1ngl n GLN 118 N -0.84 0.00 -3.83 -3.83 -0.06 0.70 -4.80 117.38 104.72 1ngl n GLN 118 Ca 0.09 0.00 -0.10 0.00 -2.00 0.00 0.00 57.00 54.99 1ngl n GLN 118 Cb 0.37 0.00 -0.05 0.00 -4.06 0.00 0.00 30.24 26.49 1ngl n GLN 118 CO 0.00 0.00 0.00 -3.38 -0.20 0.00 0.00 177.06 173.48 1ngl s HIS 119 N -1.10 0.12 0.04 3.69 -3.43 0.19 -4.19 115.29 110.61 1ngl s HIS 119 Ca 0.00 -0.47 -0.04 0.00 -0.80 0.00 0.00 55.06 53.75 1ngl s HIS 119 Cb 0.00 0.15 -0.02 0.00 -1.43 0.00 0.00 32.58 31.28 1ngl s HIS 119 CO 0.00 -0.78 0.05 0.00 -2.00 0.00 0.00 174.74 172.00 1ngl s ALA 120 N -3.91 0.09 -0.05 -1.38 0.00 -0.99 0.22 121.76 115.74 1ngl s ALA 120 Ca 0.12 -0.71 0.06 0.00 0.00 0.00 0.00 51.96 51.43 1ngl s ALA 120 Cb 0.02 0.24 -0.01 0.00 0.00 0.00 0.00 23.12 23.36 1ngl s ALA 120 CO -0.03 -0.31 -0.25 -1.64 0.00 0.00 0.00 175.76 173.54 1ngl s MET 121 N -2.72 2.45 -0.06 0.00 -1.94 -0.70 -2.28 119.30 114.05 1ngl s MET 121 Ca -0.04 -0.90 0.03 0.00 -1.71 0.00 0.00 55.69 53.07 1ngl s MET 121 Cb -0.01 -2.15 -0.02 0.00 2.01 0.00 0.00 34.83 34.66 1ngl s MET 121 CO -0.05 0.44 -0.15 0.08 -0.01 0.00 0.00 175.02 175.32 1ngl s VAL 122 N -0.30 2.97 -0.41 -6.03 1.01 0.88 -0.12 120.40 118.41 1ngl s VAL 122 Ca 0.00 -0.75 -0.08 0.00 0.00 0.00 0.00 61.98 61.16 1ngl s VAL 122 Cb -0.13 -2.17 0.08 0.00 0.00 0.00 0.00 36.38 34.16 1ngl s VAL 122 CO 0.02 0.58 0.23 0.12 0.00 0.00 0.00 175.10 176.05 1ngl s PHE 123 N -0.53 3.35 -0.25 5.22 5.36 -1.09 -1.29 117.98 128.74 1ngl s PHE 123 Ca 0.07 -1.62 -0.12 0.00 -0.96 0.00 0.00 56.93 54.31 1ngl s PHE 123 Cb -0.12 -2.89 -0.05 0.00 -0.34 0.00 0.00 43.02 39.63 1ngl s PHE 123 CO 0.01 -0.85 0.23 -0.06 -1.46 0.00 0.00 175.22 173.09 1ngl s PHE 124 N 1.39 3.28 -0.05 10.12 0.08 0.42 -2.76 117.98 130.46 1ngl s PHE 124 Ca 0.03 0.26 0.02 0.00 0.12 0.00 0.00 56.93 57.36 1ngl s PHE 124 Cb -0.23 -2.38 0.01 0.00 -0.57 0.00 0.00 43.02 39.86 1ngl s PHE 124 CO 0.01 -0.06 -0.09 0.21 -0.10 0.00 0.00 175.22 175.19 1ngl s LYS 125 N 1.47 1.29 0.14 0.44 2.20 -0.93 0.96 119.74 125.30 1ngl s LYS 125 Ca 0.10 -0.30 -0.21 0.00 -0.36 0.00 0.00 55.97 55.19 1ngl s LYS 125 Cb -0.15 -1.14 0.06 0.00 -1.51 0.00 0.00 37.83 35.10 1ngl s LYS 125 CO 0.08 0.02 0.54 -1.59 -0.36 0.00 0.00 175.35 174.04 1ngl s LYS 126 N 0.63 1.20 0.01 4.03 0.00 -0.99 -0.44 119.74 124.19 1ngl s LYS 126 Ca -0.11 -0.49 0.04 0.00 0.00 0.00 0.00 55.97 55.40 1ngl s LYS 126 Cb -0.14 0.55 -0.01 0.00 0.00 0.00 0.00 37.83 38.22 1ngl s LYS 126 CO 0.02 -0.50 -0.12 0.08 0.00 0.00 0.00 175.35 174.83 1ngl s VAL 127 N -3.59 0.93 0.41 1.79 1.01 0.19 -2.46 120.40 118.68 1ngl s VAL 127 Ca 0.01 -0.72 0.06 0.00 0.00 0.00 0.00 61.98 61.32 1ngl s VAL 127 Cb -0.00 -0.82 0.01 0.00 0.00 0.00 0.00 36.38 35.56 1ngl s VAL 127 CO -0.11 0.10 0.57 -0.55 0.00 0.00 0.00 175.10 175.11 1ngl s SER 128 N -0.71 5.73 0.00 3.32 0.15 0.51 0.59 113.70 123.28 1ngl s SER 128 Ca 0.02 -0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.44 1ngl s SER 128 Cb -0.06 -0.96 0.00 0.00 -1.71 0.00 0.00 66.02 63.29 1ngl s SER 128 CO 0.00 -0.70 0.00 1.67 1.20 0.00 0.00 173.24 175.42 1ngl n GLN 129 N -1.87 0.00 -2.71 5.44 7.27 0.24 -0.53 117.38 125.22 1ngl n GLN 129 Ca 0.05 0.00 -0.01 0.00 0.07 0.00 0.00 57.00 57.11 1ngl n GLN 129 Cb 0.59 0.00 0.07 0.00 2.41 0.00 0.00 30.24 33.31 1ngl n GLN 129 CO 0.00 0.00 0.00 0.27 0.07 0.00 0.00 177.06 177.40 1ngl n ASN 130 N -3.95 0.62 -4.15 1.69 0.23 -1.26 -4.90 115.26 103.54 1ngl n ASN 130 Ca 0.00 -2.08 -0.25 0.00 -0.53 0.00 0.00 54.58 51.72 1ngl n ASN 130 Cb 0.00 -0.12 -0.16 0.00 -2.08 0.00 0.00 39.78 37.42 1ngl n ASN 130 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 1ngl s ARG 131 N -2.45 1.61 -0.24 -3.83 0.52 0.32 -5.12 118.95 109.76 1ngl s ARG 131 Ca 0.22 -0.62 0.02 0.00 -0.52 0.00 0.00 55.73 54.83 1ngl s ARG 131 Cb 0.36 -1.47 0.05 0.00 0.52 0.00 0.00 34.95 34.41 1ngl s ARG 131 CO -0.07 0.31 -0.12 -2.00 0.02 0.00 0.00 175.30 173.44 1ngl s GLU 132 N -0.17 2.27 0.02 3.54 2.12 -1.26 -0.36 118.70 124.86 1ngl s GLU 132 Ca 0.01 -1.21 -0.01 0.00 0.36 0.00 0.00 54.97 54.12 1ngl s GLU 132 Cb -0.09 -2.78 -0.02 0.00 0.26 0.00 0.00 34.13 31.50 1ngl s GLU 132 CO 0.01 -0.51 0.00 1.52 -0.54 0.00 0.00 175.26 175.74 1ngl s TYR 133 N 1.18 0.22 0.02 5.30 1.13 -1.03 -4.86 117.35 119.32 1ngl s TYR 133 Ca -0.06 -0.47 -0.01 0.00 -1.41 0.00 0.00 57.07 55.12 1ngl s TYR 133 Cb -0.19 -0.17 -0.02 0.00 -1.10 0.00 0.00 41.96 40.49 1ngl s TYR 133 CO -0.06 -0.21 -0.00 -0.59 -2.51 0.00 0.00 175.55 172.17 1ngl s PHE 134 N -1.48 0.27 0.01 -3.49 -0.12 -1.26 -2.36 117.98 109.55 1ngl s PHE 134 Ca -0.15 -0.55 0.01 0.00 -0.05 0.00 0.00 56.93 56.18 1ngl s PHE 134 Cb -0.09 -0.20 -0.01 0.00 -0.63 0.00 0.00 43.02 42.09 1ngl s PHE 134 CO -0.01 -0.24 -0.05 0.21 -0.05 0.00 0.00 175.22 175.09 1ngl s LYS 135 N -1.83 0.36 -0.09 1.99 2.20 0.27 -2.57 119.74 120.07 1ngl s LYS 135 Ca -0.12 -0.35 0.03 0.00 -0.36 0.00 0.00 55.97 55.17 1ngl s LYS 135 Cb -0.07 -0.25 0.01 0.00 -1.51 0.00 0.00 37.83 36.01 1ngl s LYS 135 CO -0.02 0.06 -0.19 0.42 -0.36 0.00 0.00 175.35 175.25 1ngl s ILE 136 N -0.57 1.69 0.20 5.43 1.01 0.37 0.16 121.20 129.50 1ngl s ILE 136 Ca -0.03 -0.81 0.08 0.00 0.00 0.00 0.00 60.65 59.89 1ngl s ILE 136 Cb -0.05 -1.49 -0.05 0.00 0.01 0.00 0.00 42.46 40.89 1ngl s ILE 136 CO -0.00 0.48 -0.15 -0.89 0.00 0.00 0.00 174.94 174.37 1ngl s THR 137 N 0.47 1.79 -0.07 2.92 2.01 -0.41 -1.34 115.64 121.01 1ngl s THR 137 Ca -0.17 -2.17 0.02 0.00 0.31 0.00 0.00 61.69 59.68 1ngl s THR 137 Cb -0.17 -2.01 0.01 0.00 0.01 0.00 0.00 72.50 70.34 1ngl s THR 137 CO 0.07 -0.54 -0.13 -0.22 -0.69 0.00 0.00 174.62 173.11 1ngl s LEU 138 N -3.21 1.67 0.33 4.42 2.96 -1.17 -0.09 118.68 123.59 1ngl s LEU 138 Ca 0.22 -0.31 0.04 0.00 -0.22 0.00 0.00 54.13 53.85 1ngl s LEU 138 Cb -0.02 -0.85 -0.04 0.00 0.50 0.00 0.00 46.19 45.78 1ngl s LEU 138 CO 0.07 0.04 0.16 -0.72 -1.32 0.00 0.00 176.35 174.59 1ngl s TYR 139 N 0.64 1.66 -0.27 5.38 -0.85 -0.97 0.14 117.35 123.08 1ngl s TYR 139 Ca -0.15 -1.37 0.03 0.00 -0.52 0.00 0.00 57.07 55.06 1ngl s TYR 139 Cb -0.16 -0.91 0.07 0.00 0.38 0.00 0.00 41.96 41.34 1ngl s TYR 139 CO 0.04 -0.50 -0.07 0.20 -1.52 0.00 0.00 175.55 173.70 1ngl s GLY 140 N -3.42 1.65 0.00 5.49 0.00 0.33 -2.35 107.32 109.03 1ngl s GLY 140 Ca 0.34 -1.85 0.23 0.00 0.00 0.00 0.00 44.72 43.44 1ngl s GLY 140 CO 0.18 0.73 1.82 -2.13 0.00 0.00 0.00 173.10 173.70 1ngl n ARG 141 N 4.44 0.88 -3.91 2.90 0.63 -1.26 -0.00 116.66 120.34 1ngl n ARG 141 Ca -0.10 0.00 -0.24 0.00 -0.92 0.00 0.00 57.85 56.58 1ngl n ARG 141 Cb 0.42 -1.41 -0.04 0.00 0.45 0.00 0.00 32.46 31.88 1ngl n ARG 141 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1ngl s THR 142 N -2.00 2.19 0.27 5.15 -4.23 -1.26 -4.86 115.64 110.89 1ngl s THR 142 Ca 0.35 -1.54 0.17 0.00 -1.18 0.00 0.00 61.69 59.49 1ngl s THR 142 Cb 0.16 -2.72 0.13 0.00 1.34 0.00 0.00 72.50 71.40 1ngl s THR 142 CO 0.27 0.00 1.79 0.07 -0.54 0.00 0.00 174.62 176.21 1ngl h LYS 143 N 1.11 0.00 -3.76 3.99 2.10 -1.94 -3.45 116.57 114.61 1ngl h LYS 143 Ca -0.41 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.12 1ngl h LYS 143 Cb 1.27 0.00 -0.18 0.00 -0.90 0.00 0.00 32.23 32.42 1ngl h LYS 143 CO 0.63 0.37 -0.51 -1.83 -2.00 0.00 0.00 179.45 176.10 1ngl s GLU 144 N -3.85 0.58 0.00 0.07 -1.05 -1.26 -5.15 118.70 108.04 1ngl s GLU 144 Ca -0.01 -0.71 0.00 0.00 -0.15 0.00 0.00 54.97 54.09 1ngl s GLU 144 Cb 0.12 0.23 0.00 0.00 -0.44 0.00 0.00 34.13 34.04 1ngl s GLU 144 CO 0.69 -0.15 0.00 -0.11 0.95 0.00 0.00 175.26 176.64 1ngl n LEU 145 N 0.83 0.00 -4.44 1.83 0.00 -1.26 -4.84 117.00 109.11 1ngl n LEU 145 Ca -0.19 0.00 -0.30 0.00 0.00 0.00 0.00 56.01 55.52 1ngl n LEU 145 Cb 0.58 0.00 -0.13 0.00 0.00 0.00 0.00 43.42 43.88 1ngl n LEU 145 CO 0.23 0.00 -0.51 0.42 0.00 0.00 0.00 177.39 177.53 1ngl s THR 146 N 3.40 2.67 0.09 1.96 -4.23 -1.26 -5.00 115.64 113.26 1ngl s THR 146 Ca 0.00 -1.37 0.34 0.00 -1.18 0.00 0.00 61.69 59.47 1ngl s THR 146 Cb 0.00 -2.15 0.39 0.00 1.34 0.00 0.00 72.50 72.08 1ngl s THR 146 CO 0.00 0.24 1.98 0.77 -0.54 0.00 0.00 174.62 177.08 1ngl h SER 147 N 4.25 0.00 0.59 3.99 4.64 -2.04 -0.73 113.55 124.26 1ngl h SER 147 Ca -0.49 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.75 1ngl h SER 147 Cb 1.16 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.24 1ngl h SER 147 CO 0.46 0.00 -0.41 -0.08 -0.87 0.00 0.00 176.83 175.93 1ngl h GLU 148 N 0.00 0.00 -0.26 4.77 4.81 -2.02 -3.11 114.58 118.77 1ngl h GLU 148 Ca 0.00 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.30 1ngl h GLU 148 Cb 0.48 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 1ngl h GLU 148 CO 0.00 0.41 0.34 1.37 -0.73 0.00 0.00 179.01 180.40 1ngl h LEU 149 N 0.00 0.00 0.51 1.64 8.10 -1.53 0.41 115.31 124.44 1ngl h LEU 149 Ca -0.00 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.96 1ngl h LEU 149 Cb 0.82 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 41.04 1ngl h LEU 149 CO 0.05 0.00 -0.25 0.11 -4.11 0.00 0.00 178.44 174.25 1ngl h LYS 150 N 0.00 -0.66 -0.83 0.17 1.57 -1.71 -1.43 116.57 113.68 1ngl h LYS 150 Ca 0.12 0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.91 1ngl h LYS 150 Cb 0.79 0.15 -0.04 0.00 0.08 0.00 0.00 32.23 33.22 1ngl h LYS 150 CO -0.00 -0.44 0.36 0.93 -0.57 0.00 0.00 179.45 179.74 1ngl h GLU 151 N -1.18 1.21 -0.86 3.15 5.08 -1.66 -2.88 114.58 117.44 1ngl h GLU 151 Ca -0.07 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.06 1ngl h GLU 151 Cb 0.53 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 1ngl h GLU 151 CO 0.12 0.96 0.43 -0.97 -1.00 0.00 0.00 179.01 178.54 1ngl h ASN 152 N 1.19 1.11 -0.63 1.42 -1.24 -0.98 0.15 115.58 116.60 1ngl h ASN 152 Ca 0.28 -0.12 -0.09 0.00 0.71 0.00 0.00 56.30 57.08 1ngl h ASN 152 Cb 0.17 -0.28 -0.02 0.00 0.73 0.00 0.00 38.32 38.91 1ngl h ASN 152 CO -0.03 0.92 0.05 0.15 -1.29 0.00 0.00 177.43 177.23 1ngl h PHE 153 N 1.21 1.17 -0.04 0.67 3.57 -1.05 -1.45 116.94 121.03 1ngl h PHE 153 Ca 0.30 -0.18 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 1ngl h PHE 153 Cb 0.09 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 38.52 1ngl h PHE 153 CO 0.01 1.01 -0.04 0.82 -2.23 0.00 0.00 178.31 177.88 1ngl h ILE 154 N 1.01 1.39 -0.48 1.41 2.04 -1.27 -2.65 117.51 118.95 1ngl h ILE 154 Ca 0.19 -1.23 -0.04 0.00 1.00 0.00 0.00 64.86 64.78 1ngl h ILE 154 Cb 0.50 2.14 -0.02 0.00 -0.74 0.00 0.00 36.82 38.70 1ngl h ILE 154 CO 0.02 0.33 0.16 0.08 0.00 0.00 0.00 178.15 178.74 1ngl h ARG 155 N -0.38 0.74 0.55 2.37 0.11 -0.66 0.67 114.38 117.78 1ngl h ARG 155 Ca 0.01 -0.16 -0.03 0.00 0.10 0.00 0.00 59.98 59.90 1ngl h ARG 155 Cb 0.56 -0.11 0.01 0.00 1.11 0.00 0.00 29.97 31.53 1ngl h ARG 155 CO 0.01 0.70 -0.26 0.35 0.10 0.00 0.00 179.97 180.86 1ngl h PHE 156 N 0.64 -0.69 -0.99 4.08 3.04 -1.35 0.71 116.94 122.39 1ngl h PHE 156 Ca 0.16 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.10 1ngl h PHE 156 Cb 0.26 0.23 -0.05 0.00 2.56 0.00 0.00 35.95 38.94 1ngl h PHE 156 CO 0.01 -0.40 0.64 0.77 -2.02 0.00 0.00 178.31 177.31 1ngl h SER 157 N -0.81 1.15 -0.28 0.41 0.02 -1.41 -2.48 113.55 110.15 1ngl h SER 157 Ca -0.08 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 60.82 1ngl h SER 157 Cb 0.60 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 1ngl h SER 157 CO 0.12 0.85 0.12 0.50 -1.14 0.00 0.00 176.83 177.28 1ngl h LYS 158 N 1.35 0.42 -0.95 3.45 3.64 0.61 2.48 116.57 127.57 1ngl h LYS 158 Ca 0.36 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.66 1ngl h LYS 158 Cb -0.13 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 31.58 1ngl h LYS 158 CO -0.07 0.43 0.57 0.77 -2.27 0.00 0.00 179.45 178.88 1ngl h SER 159 N 0.30 1.13 0.02 4.20 0.02 -0.58 0.79 113.55 119.44 1ngl h SER 159 Ca 0.09 -0.07 -0.24 0.00 -0.84 0.00 0.00 61.79 60.73 1ngl h SER 159 Cb 0.17 -0.29 -0.03 0.00 0.14 0.00 0.00 62.40 62.39 1ngl h SER 159 CO -0.01 0.87 -1.33 -0.07 -1.14 0.00 0.00 176.83 175.15 1ngl h LEU 160 N 1.30 0.06 -2.06 5.07 3.38 -1.28 -3.40 115.31 118.38 1ngl h LEU 160 Ca 0.34 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1ngl h LEU 160 Cb -0.06 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1ngl h LEU 160 CO -0.06 1.53 0.00 0.61 0.09 0.00 0.00 178.44 180.61 1ngl n GLY 161 N 1.51 1.21 5.92 0.83 0.00 0.83 -4.59 105.19 110.89 1ngl n GLY 161 Ca -0.32 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.03 1ngl n GLY 161 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ngl n LEU 162 N 1.33 0.00 -2.58 0.99 7.99 0.27 -2.58 117.00 122.42 1ngl n LEU 162 Ca 0.15 0.00 -0.31 0.00 -0.01 0.00 0.00 56.01 55.84 1ngl n LEU 162 Cb 0.57 0.00 -0.00 0.00 -0.11 0.00 0.00 43.42 43.88 1ngl n LEU 162 CO 0.14 0.00 1.53 -0.81 -1.51 0.00 0.00 177.39 176.75 1ngl n PRO 163 N 0.00 2.50 0.04 3.23 -0.04 -1.26 -4.57 135.00 134.90 1ngl n PRO 163 Ca 0.00 -2.77 -0.12 0.00 -0.04 0.00 0.00 63.50 60.57 1ngl n PRO 163 Cb 0.00 -2.16 -0.07 0.00 -0.04 0.00 0.00 33.50 31.23 1ngl n PRO 163 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1ngl h GLU 164 N 2.80 -0.01 0.00 0.54 4.39 -1.88 -3.48 114.58 116.94 1ngl h GLU 164 Ca 0.46 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.16 1ngl h GLU 164 Cb 0.50 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 1ngl h GLU 164 CO 1.12 -0.01 0.00 -1.71 -1.16 0.00 0.00 179.01 177.25 1ngl n ASN 165 N -5.09 0.00 -3.27 1.42 2.85 -1.26 -5.01 115.26 104.90 1ngl n ASN 165 Ca -0.07 0.00 -0.39 0.00 -0.11 0.00 0.00 54.58 54.01 1ngl n ASN 165 Cb 0.03 0.00 0.02 0.00 1.24 0.00 0.00 39.78 41.07 1ngl n ASN 165 CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 1ngl n HIS 166 N 0.00 2.70 -3.41 1.20 8.25 -1.14 -4.90 115.22 117.90 1ngl n HIS 166 Ca 0.00 -2.45 -0.44 0.00 -0.26 0.00 0.00 57.72 54.57 1ngl n HIS 166 Cb 0.00 -1.30 -0.03 0.00 1.12 0.00 0.00 29.99 29.79 1ngl n HIS 166 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1ngl s ILE 167 N -3.95 5.41 0.31 1.59 1.01 -1.26 -2.07 121.20 122.23 1ngl s ILE 167 Ca 0.47 -3.08 0.05 0.00 0.00 0.00 0.00 60.65 58.09 1ngl s ILE 167 Cb 0.29 -4.31 -0.03 0.00 0.01 0.00 0.00 42.46 38.42 1ngl s ILE 167 CO -0.23 -1.08 0.28 -0.69 0.00 0.00 0.00 174.94 173.22 1ngl s VAL 168 N -0.62 0.00 -0.69 2.92 1.01 -0.90 -4.91 120.40 117.20 1ngl s VAL 168 Ca 0.24 -1.95 0.05 0.00 0.00 0.00 0.00 61.98 60.33 1ngl s VAL 168 Cb -0.11 -2.51 0.18 0.00 0.00 0.00 0.00 36.38 33.94 1ngl s VAL 168 CO -0.08 0.00 0.54 2.22 0.00 0.00 0.00 175.10 177.77 1ngl n PHE 169 N -0.56 3.26 0.31 5.22 -1.74 -1.26 -1.45 117.46 121.24 1ngl n PHE 169 Ca 0.06 -4.27 -0.04 0.00 -0.56 0.00 0.00 57.45 52.63 1ngl n PHE 169 Cb 0.63 -0.60 0.02 0.00 1.52 0.00 0.00 39.48 41.05 1ngl n PHE 169 CO 0.00 0.00 0.00 -0.35 -0.56 0.00 0.00 176.76 175.85 1ngl n PRO 170 N 1.77 1.21 -3.70 3.97 -0.04 -1.26 -4.80 135.00 132.14 1ngl n PRO 170 Ca 0.22 -0.47 -0.38 0.00 -0.04 0.00 0.00 63.50 62.83 1ngl n PRO 170 Cb 0.36 -1.18 -0.11 0.00 -0.04 0.00 0.00 33.50 32.53 1ngl n PRO 170 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1ngl s VAL 171 N -0.56 3.87 0.00 0.52 1.01 -1.26 -4.28 120.40 119.69 1ngl s VAL 171 Ca 0.09 -1.34 0.00 0.00 0.00 0.00 0.00 61.98 60.73 1ngl s VAL 171 Cb 0.07 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 33.15 1ngl s VAL 171 CO 0.01 -0.36 0.00 -0.81 0.00 0.00 0.00 175.10 173.95 1ngl n PRO 172 N 4.82 0.87 0.00 2.72 -0.04 -1.26 -4.86 135.00 137.25 1ngl n PRO 172 Ca -0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 1ngl n PRO 172 Cb 0.44 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.90 1ngl n PRO 172 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1ngl n ILE 173 N -0.46 0.00 -3.97 0.52 5.41 -1.26 -4.80 119.36 114.80 1ngl n ILE 173 Ca 0.00 0.00 -0.29 0.00 1.00 0.00 0.00 62.75 63.46 1ngl n ILE 173 Cb 0.00 -0.48 -0.00 0.00 -0.71 0.00 0.00 39.64 38.45 1ngl n ILE 173 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1ngl n ASP 174 N -0.30 -2.44 -4.78 4.38 -0.08 -1.26 -4.86 116.55 107.21 1ngl n ASP 174 Ca 0.00 -0.92 -0.41 0.00 -1.51 0.00 0.00 54.79 51.95 1ngl n ASP 174 Cb 0.00 -3.37 0.00 0.00 2.34 0.00 0.00 41.12 40.09 1ngl n ASP 174 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ngl n GLN 175 N -4.46 2.70 0.01 -0.67 10.64 -1.26 -4.86 117.38 119.48 1ngl n GLN 175 Ca -0.11 0.95 0.11 0.00 -1.83 0.00 0.00 57.00 56.11 1ngl n GLN 175 Cb 0.59 -2.69 0.49 0.00 -0.86 0.00 0.00 30.24 27.77 1ngl n GLN 175 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1ngl n ILE 177 N -1.54 0.55 1.29 0.00 -5.35 -1.26 -2.34 119.36 110.70 1ngl n ILE 177 Ca 0.05 0.06 0.13 0.00 -0.27 0.00 0.00 62.75 62.73 1ngl n ILE 177 Cb 0.27 -0.78 0.34 0.00 -1.74 0.00 0.00 39.64 37.74 1ngl n ILE 177 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1ngl n ASP 178 N -1.75 2.12 -0.27 7.28 8.00 -1.10 -5.26 116.55 125.57 1ngl n ASP 178 Ca 0.05 -1.70 0.03 0.00 0.71 0.00 0.00 54.79 53.88 1ngl n ASP 178 Cb 0.29 0.01 0.03 0.00 -0.02 0.00 0.00 41.12 41.42 1ngl n ASP 178 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42